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The very good performance of modern density functional theory for molecular geometries and harmonic vibrational frequencies has been well established. We investigate the performance of density functional theory (DFT) for quartic force…

Chemical Physics · Physics 2007-05-23 A. Daniel Boese , Wim Klopper , Jan M. L. Martin

Nuclear energy density functionals (EDFs) have a long history of success in reproducing properties of nuclei across the table of the nuclides. They capture quantitatively the emergent features of bound nuclei, such as nuclear saturation and…

Nuclear Theory · Physics 2020-06-24 R. J. Furnstahl

We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…

Quantum Gases · Physics 2021-06-16 Martin-Isbjörn Trappe , Jun Hao Hue , Berthold-Georg Englert

A density functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix gamma_{ij} as basic variable. A simple, explicit approximation to the interaction-energy functional W[gamma] of the…

Strongly Correlated Electrons · Physics 2009-11-07 R. Lopez-Sandoval , G. M. Pastor

I discuss some recent developments in chiral effective field theory for few-nucleon systems.

Nuclear Theory · Physics 2008-11-26 E. Epelbaum

We study the dynamics of a colloidal fluid including inertia and hydrodynamic interactions, two effects which strongly influence the non-equilibrium properties of the system. We derive a general dynamical density functional theory (DDFT)…

Statistical Mechanics · Physics 2012-09-24 Benjamin D. Goddard , Andreas Nold , Nikos Savva , Grigorios A. Pavliotis , Serafim Kalliadasis

Controlling the False Discovery Rate (FDR) in a variable selection procedure is critical for reproducible discoveries, and it has been extensively studied in sparse linear models. However, it remains largely open in scenarios where the…

Methodology · Statistics 2023-11-16 Yang Cao , Xinwei Sun , Yuan Yao

This paper proposes an efficient FDTD technique for determining electromagnetic fields interacting with a finite-sized 2D and 3D periodic structures. The technique combines periodic boundary conditions---modelling fields away from the edges…

Computational Engineering, Finance, and Science · Computer Science 2024-10-30 Aaron J. Kogon , Costas D. Sarris

Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum…

Quantum Physics · Physics 2009-11-11 L. -A. Wu , M. S. Sarandy , D. A. Lidar , L. J. Sham

Density Functional Theory (DFT) has become a cornerstone in the modeling of metals. However, accurately simulating metals, particularly under extreme conditions, presents two significant challenges. First, simulating complex metallic…

Chemical Physics · Physics 2024-03-08 Jake P. Vu , Ming Chen

In this work we devise a stochastic version of contact Hamiltonian systems, and show that the phase flows of these systems preserve contact structures. Moreover, we provide a sufficient condition under which these stochastic contact…

Dynamical Systems · Mathematics 2021-04-21 Pingyuan Wei , Zibo Wang

We analyze the structure of the Fundamental Measure Theory for the free energy density functional of hard sphere mixtures. A comparative study of the different versions of the theory, and other density functional approaches, is done in…

Soft Condensed Matter · Physics 2009-11-07 Jose A. Cuesta , Yuri Martinez-Raton , Pedro Tarazona

This paper constructs a solvability theory for a system of stochastic partial differential equations. On account of the Kolmogorov continuity theorem, solutions are looked for in certain H\"older-type classes in which a random field is…

Probability · Mathematics 2018-06-18 Kai Du , Jiakun Liu , Fu Zhang

The response of a one-dimensional fermion system is investigated using Density Functional Theory (DFT) within the Local Density Approximation (LDA), and compared with exact results. It is shown that DFT-LDA reproduces surprisingly well some…

Strongly Correlated Electrons · Physics 2008-10-30 Stefan Schenk , Michael Dzierzawa , Peter Schwab , Ulrich Eckern

This paper establishes a far-reaching connection between the Finite-Difference Time-Domain method (FDTD) and the theory of dissipative systems. The FDTD equations for a rectangular region are written as a dynamical system having the…

Computational Engineering, Finance, and Science · Computer Science 2017-04-05 Fadime Bekmambetova , Xinyue Zhang , Piero Triverio

We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…

Condensed Matter · Physics 2009-10-28 O. Heinonen , M. I. Lubin , M. D. Johnson

In this paper, we propose a novel method to approximate the mean field stochastic differential equation by means of approximating the density function via Fokker-Planck equation. We construct a well-posed truncated Fokker-Planck equation…

Numerical Analysis · Mathematics 2025-03-25 Jinhui Zhou , Yongkui Zou , Shimin Chai , Boyu Wang , Ziyi Tan

New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…

Nuclear Theory · Physics 2018-09-26 Jérémy Bonnard , Marcella Grasso , Denis Lacroix

Deep learning algorithms have made incredible strides in the past decade, yet due to their complexity, the science of deep learning remains in its early stages. Being an experimentally driven field, it is natural to seek a theory of deep…

Machine Learning · Statistics 2025-04-18 Zohar Ringel , Noa Rubin , Edo Mor , Moritz Helias , Inbar Seroussi

This is an introduction to two-dimensional conformal field theory and its applications in string theory. Modern concepts of conformal field theory are explained, and it is outlined how they are used in recent studies of D-branes in the…

High Energy Physics - Theory · Physics 2017-08-23 C. Schweigert , J. Fuchs , J. Walcher